# generated using pymatgen data_LaCrReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49230386 _cell_length_b 5.48953430 _cell_length_c 5.47829141 _cell_angle_alpha 59.99942903 _cell_angle_beta 120.05113069 _cell_angle_gamma 89.93379111 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrReO6 _chemical_formula_sum 'La1 Cr1 Re1 O6' _cell_volume 116.63473967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.75534800 0.26031900 0.50135700 1.0 Cr Cr1 1 0.00083200 0.51031900 0.99962200 1.0 Re Re2 1 0.50137500 0.00990400 0.00116500 1.0 O O3 1 0.30615700 0.25351700 0.50758300 1.0 O O4 1 0.23050800 0.28247400 0.94998300 1.0 O O5 1 0.76295600 0.72843700 0.05111200 1.0 O O6 1 0.22510700 0.79333800 0.95610500 1.0 O O7 1 0.77002200 0.23364300 0.04089600 1.0 O O8 1 0.70793300 0.76946100 0.49259000 1.0